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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Improving the economics of battery storage for industrial customers: Are incentives enough to increase adoption?

As adoption of behind-the-meter battery energy storage increases across the United States, implementation continues to lag in the industrial sector. This analysis considers two manufacturing facilities with potential for load shifting to reduce peak demand. Although both facilities have load profiles that demonstrate great potential for regular and programmed demand reduction during peak hours, battery energy storage was deemed prohibitively expensive. A review of several existing utility and state-level policies and incentives determined that few may be rightsized for the industrial customer class. Furthermore, this analysis further considers multiple incentive structures and finds that although incentives increase viability of energy storage, developers must also consider optimization, unique load profiles, and use case to effectively increase adoption of battery energy storage by industrial customers.

25 ENERGY STORAGE↗
DOE OSTI2023

Genome-scale phylogeny and comparative genomics of the fungal order Sordariales

The order Sordariales is taxonomically diverse, and harbours many species with different lifestyles and large economic importance. Despite its importance, a robust genome-scale phylogeny, and associated comparative genomic analysis of the order is lacking. In this study, we examined whole-genome data from 99 Sordariales, including 52 newly sequenced genomes, and seven outgroup taxa. We inferred a comprehensive phylogeny that resolved several contentious relationships amongst families in the order, and cleared-up intrafamily relationships within the Podosporaceae. Extensive comparative genomics showed that genomes from the three largest families in the dataset (Chaetomiaceae, Podosporaceae and Sordariaceae) differ greatly in GC content, genome size, gene number, repeat percentage, evolutionary rate, and genome content affected by repeat-induced point mutations (RIP). All genomic traits showed phylogenetic signal, and ancestral state reconstruction revealed that the variation of the properties stems primarily from within-family evolution. Together, the results provide a thorough framework for understanding genome evolution in this important group of fungi.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Rapid Determination of Uranium Isotopic Abundance from Cotton Swipes: Direct Extraction via a Planar Surface Reader and Coupling to a Microplasma Ionization Source

The collection of solid particulates and liquids from surfaces by the use of cloth swipes is fairly ubiquitous. In such methods, there is a continuous concern regarding the ability to locate and quantitatively sample the analyte species from the material. In this effort, we demonstrate the initial coupling of an Advion Plate Express plate reader to a liquid sampling–atmospheric pressure glow discharge (LS-APGD) microplasma ionization source with an Orbitrap mass spectrometer to perform uranium isotopic analyses of solution residues on cotton swipes. The Plate Express employs a sampling probe head to engage and seal against the swipe surface. Subsequentially, the analyte residues are desorbed and transported within a 2% HNO 3 electrolyte flow to the ionization source. Quantitative recoveries were observed following a single 30 s extraction step, with the absolute mass sampled per extraction being ~100 ng. While the intrasample variability in the analytical responses for triplicate sampling of the same swipe yield ~30% RSD, this lack of precision is offset by the ability to determine isotope ratios for enriched uranium specimens with a precision of better than 10% RSD. Pooled, intersample precision ( n = 9) was found to be <5%RSD across the various sample compositions. Finally, 235 U/ 238 U determinations (ranging from 0.053 to 1.806) were accurate with errors of <10%, absolute. The 234 U- and 236 U-inclusive ratios were determined with similar accuracy in enriched samples. While the driving force for the effort is in the realm of nuclear nonproliferation efforts, the ubiquitous use of cloth swipes across many application areas could benefit from this convenient approach, including the use of versatile, reduced-format mass spectrometer systems.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2022

Ln 10 S 14 O (Ln = La, Pr, Nd, Sm) Oxysulfides: A Series of Direct n-Type Semiconductors

Lanthanoid oxysulfides are promising materials for technological applications owing to their magnetic, photoluminescent, catalytic, and optoelectronic properties. In this work, we report the solid-state synthesis and structural characterization of Ln 10 S 14 O (Ln = La, Ce, Pr, Nd, Sm) oxysulfides. Then, we present a thorough discussion on their electronic and photophysical properties. Through Tauc plot analysis and the derivation of the absorption spectrum fitting method (DASF), we determine that all oxysulfides have direct band gaps with energies of 2.84 eV (La), 2.02 eV (Ce), 2.56 eV (Pr), 2.64 eV (Nd), and 2.41 eV (Sm). Furthermore, surface photovoltage spectroscopy (SPS) shows photovoltage (ΔCPD) values of –0.4 to –1.1 V for La-, Pr-, Nd-, and Sm-containing compounds when illuminated near the optical band gap, indicating that these oxysulfides are n-type semiconductors, which is consistent with Mott–Schottky analysis. Photovoltages under sub-band gap illumination energy and photovoltage decay data suggest mid-band gap states possibly arising from the lanthanoid 4f orbitals and/or defects within the crystal structure or at the particle surfaces. These photophysical properties suggest possible applications of the oxysulfides in photoelectrochemical and photovoltaic energy conversion.

14 SOLAR ENERGY↗
DOE OSTI2025

Methanogenesis and Acetogenesis in Hydrogenotrophy with Carbonate Minerals: Dependence on Mineral Surface Area, Biofilm Growth, and Microbial Community

The production, storage, and use of hydrogen are anticipated to grow substantially to achieve energy and climate goals. Consequently, microbial communities in many terrestrial and subsurface Earth environments could be exposed to elevated hydrogen concentrations. Hydrogen stimulates metabolic processes that reduce aqueous chemical species, such as bicarbonate or sulfate, that can exchange with solid mineral phases, but the controls on microbial hydrogenotrophy with mineral sources of electron acceptors are not fully understood. Herein, we applied laboratory experiments and biogeochemical modeling to study the response of a natural microbial community to an elevated partial pressure of hydrogen in the presence of carbonate minerals of varying composition, solubility, and size. Experimental incubations and simulation results showed that hydrogen consumption by microbial communities was initially dominated by sulfate reduction and, subsequently, transitioned to acetogenesis and methanogenesis. The rates of acetogenesis and methanogenesis were not correlated with the solubility of carbonate minerals. Instead, we observed strong linear correlations between the rates and surface area of carbonate minerals. Methane and acetate production slowed down in all incubations after about 2 weeks of incubation, although biogeochemical modeling predicted that the metabolic processes were not thermodynamically limited. Electron microscopy and infrared spectroscopy showed that biofilms with diverse microorganisms grew on the carbonates during this period. The methane δ13C value significantly increased, consistent with slower growth at elevated pH. This work highlights that microbial communities form biofilm on carbonate mineral surfaces as a response to hydrogen and that biofilm formation could pose a strong kinetic limitation to hydrogenotrophic metabolism utilizing carbonate minerals.

Acetobacterium↗
DOE OSTI2025

Probing the Redox Reactivity of Alkyl Bound Astatine: A Study on the Formation and Cleavage of a Stable At–C Bond

The formation of a stable alkyl At–C bond occurs during the shipment of 211 At on a 3-octanone-impregnated column and the reactivity of 211 At stripped from columns has been studied. The 211 At could not be recovered from the 3-octanone organic phase using nitric acid or sodium hydroxide, even up to 10 and 15.7 M, respectively. Several reducing and oxidizing agents, including hydrazine, hydroxylamine, ascorbic acid, ceric ammonium nitrate, potassium permanganate, sodium hypochlorite, and calcium hypochlorite were used to promote the recovery of 211 At. The most effective reducing agent was hydroxylamine, where ~70% of the 211 At was recovered, while among oxidizing agents ceric ammonium nitrate, potassium permanganate, and sodium hypochlorite all showed near quantitative recovery of 211 At. These results indicate an At–C bond is being formed during the shipment of the column and a redox reaction is required for bond cleavage to occur. Furthermore, DFT calculations have been used to propose several products of an AtO + -3-octanone reaction, with 4-astato-5-hydroxy-octa-3-one being the most probable.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

The [M 6 (S 2 C 2 Ph 2 ) 6 ] (M = Ni, Pd, Pt) Series: Multielectron Reservoirs That Sustain Ligand-Based Oxidations and Metal-Based Reductions

A complete [M 6 (S 2 C 2 R 2 ) 6 ] series (M = Ni (1), Pd (2), Pt (3); R = Ph), the rarest variety among homoleptic dithiolene transition-metal compounds, has been prepared by reaction between [M(S 2 C 2 Ph 2 ) 2 ] and a M 0 source. The platinum member of this set is the first of its type. Diffraction-quality crystals, grown with high reproducibility by evaporation from PhNO 2 solutions, reveal fully reduced [Ph 2 C 2 S 2 ] 2– dianions and an octahedral M 6 core that is reduced to C 2 symmetry by the fusion of a mononuclear D 2h [M(S 2 C 2 Ph 2 ) 2 ] fragment upon a C 4 -symmetric base. The [Ni 6 (S 2 C 2 Ph 2 ) 2 ] 1– monoanion, prepared by Cp* 2 Co reduction, shows only modest structural differences from its neutral counterpart. In CH 2 Cl 2 , 1 and 2 can undergo two reductions and an oxidation, while 3 sustains two reductions and two oxidations. In benzonitrile, 1 sustains three reversible oxidations at potentials that are shifted appreciably to less positive values. The cathodic processes are shown by density functional theory (DFT) calculations to involve an MO largely of metal–sulfur composition that has contributions throughout the C 4 -symmetric pentametallic base of the assembly, while the oxidations are largely ligand-based and confined to the monometallic [M(S 2 C 2 Ph 2 ) 2 ] cap. The absorption spectra are marked by multiple overlapping bands that produce a continuous, tapering absorption profile of unresolved shoulders and swells.

Ligands↗
DOE OSTI2025

Resistive Switching of Spinel Li 4 Ti 5 O 12 Lithium-Ion Battery Material for Neuromorphic Computing

The rapid rise of AI has exposed significant limitations in conventional Von Neumann computing architecture, particularly in regard to speed and energy efficiency. To address these challenges, researchers are exploring a brain-inspired neuromorphic architecture that mimics biological neural networks, enabling massive parallel processing with reduced power consumption for complex AI computational demands. Recent interest has focused on utilizing battery electrodes and solid electrolyte materials for their resistive switching properties in developing a neuromorphic architecture. These properties are precisely tuned through local- and bulk-level chemical composition modifications via voltage bias stimuli. In this study, we demonstrate fabricating a three-terminal lithium-ion electrochemical transistor based on lithium titanium oxide (Li 4 Ti 5 O 12 ), a popular lithium-ion battery anode material. We deposited and characterized LTO thin films using RF sputtering, demonstrating a 6 orders of magnitude increase in electronic conductivity upon lithiation, with conductivity plateauing after 20% lithiation. Density functional theory calculations revealed transformation from the insulating to conducting state, supported by experimental characterization through X-Ray Photoelectron Spectroscopy (XPS) and Direct Current (DC) polarization analyses. The fabricated transistor consisted of LTO as the channel layer, gold as source/drain terminals, lithium phosphorus oxynitride (LiPON) as the lithium-ion conductor, and copper as the gate terminal. The device exhibited clear hysteresis in transfer characteristics due to lithium insertion/extraction processes. Long-term potentiation (LTP) and long-term depression (LTD) measurements showed an asymmetric ratio of 1.425 and maximum/minimum conductance ratio of 7.83. When implemented in a deep neural network (DNN) for MNIST handwritten digit recognition, the device achieved 92.03% accuracy over 20 training epochs. Detailed transport mechanism analysis revealed the crucial role of oxygen vacancies and interface effects in device operation. Our preliminary findings establish LTO-based lithium-ion electrochemical transistors as promising candidates for energy-efficient neuromorphic computing applications, offering potential solutions to traditional Von Neumann architecture limitations.

25 ENERGY STORAGE↗
DOE OSTI2025

Long-Range Resonant Charge Transport through Open-Shell Donor–Acceptor Macromolecules

A grand challenge in molecular electronics is the development of molecular materials that can facilitate efficient longrange charge transport. Research spanning more than two decades has been fueled by the prospects of creating a new generation of miniaturized electronic technologies based on molecules whose synthetic tunability offers tailored electronic properties and functions unattainable with conventional electronic materials. However, current design paradigms produce molecules that exhibit off-resonant transport under low bias, which limits the conductance of molecular materials to unsatisfactorily low levels several orders of magnitude below the conductance quantum 1 G 0 and often results in an exponential decay in conductance with length. Here, we demonstrate a chemically robust, air-stable, and highly tunable molecular wire platform comprised of open-shell donor−acceptor macromolecules that exhibit remarkably high conductance close to 1 G 0 over a length surpassing 20 nm under low bias, with no discernible decay with length. Single-molecule transport measurements and ab initio calculations show that the ultralong-range resonant transport arises from extended π-conjugation, a narrow bandgap, and diradical character, which synergistically enables excellent alignment of frontier molecular orbitals with the electrode Fermi energy. The implementation of this long-sought-after transport regime within molecular materials offers new opportunities for the integration of manifold properties within emerging nanoelectronic technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Shale as a Source of Organic Carbon in Floodplain Sediments of a Mountainous Watershed

Abstract Shales contain high levels of organic carbon (OC) and represent a large fraction of the Earth's reduced carbon stocks. While recent evidence suggests that shale‐derived OC may be actively cycled in riverine systems, this process is poorly understood and not currently considered in global C models. Through the use of sediment density fractionations, extractions, radiocarbon measurements, and chemical characterization, we provide information on the abundance, chemistry, and mobility of shale‐derived OC in floodplain sediments of a shale‐rich mountainous watershed. The heavy fraction of the sediment, representing mineral‐associated OC, is the largest (84 ± 6% of TOC) and oldest (Δ 14 C values −224 to −853‰) OC pool. Evidence of shale‐derived OC is observed in all sediment C pools (i.e., occluded light fraction, water‐soluble, and pyrophosphate‐extractable) except the free light fraction, which is entirely modern. Relatively consistent chemistry was observed across samples for extracted and density‐separated OC, despite wide ranges of Δ 14 C values. Carbon spectroscopy revealed that floodplain sediments had a higher degree of functionalized aromatic groups and lower carbonate content compared to shale collected nearby, consistent with chemical alteration and mixing with other C sources in the floodplain. We estimate that approximately 23–34% of sediment OC is derived from shale, with implications for other shale‐derived elements (e.g., N). This study demonstrates the important contribution of shale‐OC, particularly in environments with low litter inputs. The large impact of radiocarbon‐dead shale‐OC, which has a thermally altered chemical structure distinct from plant litter, on Δ 14 C values and reactivity of sediment‐OC must be considered.

Fox, Patricia M.↗
DOE OSTI2022

Spatiotemporal Variations of Evapotranspiration in Amazonia Using the Wavelet Phase Difference Analysis

The relationships and seasonal-to-annual variations among evapotranspiration (ET), precipitation (P), terrestrial water storage anomalies (TWSA), radiation (downward shortwave radiation, DSR), and phenology (leaf area index, LAI) are complex across the Amazon basin. Here, to analyze how ET is controlled by these influencing factors, we used wavelet phase difference (WPD) to investigate the effects of P, TWSA, DSR, and LAI on ET at different spatiotemporal scales. The Amazon-scale averaged ET has strong correlations with these factors at the annual and multi-year periodicities. The patterns of WPDs have south-north and west-east divides due to the significant variation in climatic conditions. The results demonstrate that ET is mainly affected by water and energy availability while vegetation regulates both processes. The deep soil moisture/groundwater can provide strong subsidies to ET during the meteorological dry season in the water-limited area of Amazon. The WPD can well reflect the responses of ET to the variations of P, TWSA, DSR, and LAI, and the process of vegetation sustaining ET in the dry years in the water-limited area of the Amazon.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Variability of Snow and Rainfall Partitioning Into Evapotranspiration and Summer Runoff Across Nine Mountainous Catchments

Abstract Understanding the partitioning of snow and rain contributing to either catchment streamflow or evapotranspiration (ET) is of critical relevance for water management in response to climate change. To investigate this partitioning, we use endmember splitting and mixing analyses based on stable isotope ( 18 O) data from nine headwater catchments in the East River, Colorado. Our results show that one third of the snow partitions to ET and 13% of the snowmelt sustains summer streamflow. Only 8% of the rainfall contributes to the summer streamflow, because most of the rain (67%) partitions to ET. The spatial variability of precipitation partitioning is mainly driven by aspect and tree cover across the sub‐catchments. Catchments with higher tree cover have a higher share of snow becoming ET, resulting in less snow in summer streamflow. Summer streamflow did not contain more rain with higher rainfall sums, but more rain was taken up in ET.

58 GEOSCIENCES↗
DOE OSTI2024

A Tale of Two Catchments: Causality Analysis and Isotope Systematics Reveal Mountainous Watershed Traits That Regulate the Retention and Release of Nitrogen

Abstract Mountainous watersheds are characterized by variability in functional traits, including vegetation, topography, geology, and geomorphology, which determine nitrogen (N) retention, and release. Coal Creek and East River are two contrasting catchments within the Upper Colorado River Basin that differ markedly in total nitrate (NO 3 − ) export. The East River has a diverse vegetation cover, and sinuous floodplains, and is underlain by N‐rich marine shale. At 0.21 ± 0.14 kg ha −1 yr −1 , the East River exports ∼3.5 times more NO 3 − relative to the conifer‐dominated Coal Creek (0.06 ± 0.02 kg ha −1 yr −1 ). While this can partly be explained by the larger size of the East River, the distinct watershed traits of these two catchments imply different mechanisms controlling the aggregate N‐export signal. A causality analysis shows physical and biogenic processes were critical in determining NO 3 − export from the East River catchment. Stable isotope ratios of NO 3 − (δ 15 N NO3 and δ 18 O NO3 ) show the East River catchment is a strong hotspot for biogeochemical processing of NO 3 − at the hillslope soil‐saprolite. By contrast, the conifer‐dominated Coal Creek retained nearly all atmospherically deposited NO 3 − , and its export was controlled by catchment hydrological traits (i.e., snowmelt periods and water table depth). The conservative N‐cycle within Coal Creek is likely due to the abundance of conifer trees, and smaller riparian regions, retaining more NO 3 − overall and reduced processing prior to export. This study highlights the value of integrating isotope systematics to link watershed functional traits to mechanisms of watershed element retention and release.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Earth Sciences Are the Model Sciences of the Anthropocene

After 4.5 billion years as a dynamic and evolving planet, Earth today continues to evolve but with new dynamics. Earth scientists writ large have special opportunities and responsibilities to accelerate our understanding of the changes that are transforming our most remarkable home.

Richter, Daniel↗
DOE OSTI2025

Control Mechanisms for Self‐Sealing in Activated Clay‐Rich Faults Through Controlled Hydraulic Injection Experiment

Abstract In a high‐pressure injection fault activation experiment conducted at the Mont Terri underground research laboratory in Switzerland, the transmissivity of the Opalinus Clay fault significantly increased due to opening and shearing. The fluid injection, spanning a few hours, generated a 10 m radius fault activation patch. Subsequent pressure pulse tests conducted bi‐weekly for a year revealed the gradual return of fault transmissivity to its initial state. The study utilized fluid pressure decay analysis, optical fiber monitoring, continuous active source seismic measurements and borehole displacement sensors for measuring fault displacements. The fault zone exhibited a dilation of approximately 1.4 mm, associated with both normal and tangential movements during activation, resulting in a sudden transmissivity increase from 1 × 10 −12 to 3.2 × 10 −7 m 2 /s. Early post‐activation, transient compaction and the subsequent slow compaction were observed, transitioning to an extension regime. The pressure pulse tests demonstrated a rapid transmissivity drop by more than two orders of magnitude within the first 10 days, followed by a gradual and less pronounced decrease. Plastic shear and compaction dominated the transmissivity evolution until 70 days after injection ended, followed by a period where additional factors, such as clay mineral swelling, influenced the behavior. Extrapolation suggested a sealing process taking at least 50 years after the initial activation. Plain Language Summary A field‐scale fault activation experiment offers valuable insights into the elasto‐plastic processes governing the sealing of shale faults. The experiment reveals a rapid increase in the fault's transmissivity by approximately five orders of magnitude during activation. Subsequent observations show a gradual transmissivity decrease by about three orders of magnitude post‐activation, with slow long‐term plastic shear and compaction of the fault competing against secondary processes, notably clay mineral swelling. All conceptual models employed to interpret these field data converge on the estimation that the fault's return to its initial low transmissivity state would require a minimum of 50 years. Key Points High‐pressure injection fault activation experiment at the Mont Terri underground research laboratory Continuous transmissivity measurements record self‐sealing inside a clay‐rich fault zone Transmissivity undergoes a phase of domination by slow plastic compaction and shearing during the initial post‐activation period, with mineral swelling exerting its influence over the long term

Guglielmi, Yves↗